Found 4 hits for monomerid = 50359182 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50359182
(CHEMBL1923119)Show SMILES COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C29H36F2N2O3/c1-18-11-20(5-4-10-35-3)12-21(19(18)2)16-33(23-6-7-23)28(34)25-15-32-9-8-29(25)24-14-27(31)26(30)13-22(24)17-36-29/h11-14,23,25,32H,4-10,15-17H2,1-3H3/t25-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 21: 7399-404 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50359182
(CHEMBL1923119)Show SMILES COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C29H36F2N2O3/c1-18-11-20(5-4-10-35-3)12-21(19(18)2)16-33(23-6-7-23)28(34)25-15-32-9-8-29(25)24-14-27(31)26(30)13-22(24)17-36-29/h11-14,23,25,32H,4-10,15-17H2,1-3H3/t25-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m... |
Bioorg Med Chem Lett 21: 7399-404 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50359182
(CHEMBL1923119)Show SMILES COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C29H36F2N2O3/c1-18-11-20(5-4-10-35-3)12-21(19(18)2)16-33(23-6-7-23)28(34)25-15-32-9-8-29(25)24-14-27(31)26(30)13-22(24)17-36-29/h11-14,23,25,32H,4-10,15-17H2,1-3H3/t25-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of... |
Bioorg Med Chem Lett 21: 7399-404 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50359182
(CHEMBL1923119)Show SMILES COCCCc1cc(C)c(C)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C29H36F2N2O3/c1-18-11-20(5-4-10-35-3)12-21(19(18)2)16-33(23-6-7-23)28(34)25-15-32-9-8-29(25)24-14-27(31)26(30)13-22(24)17-36-29/h11-14,23,25,32H,4-10,15-17H2,1-3H3/t25-,29+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Reversible inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 7399-404 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW |
More data for this Ligand-Target Pair | |